8-ethylsulfanyl-2-(4-methoxyphenyl)-4-oxidanylidene-3-(phenylmethyl)-[1]benzothiolo[2,3-d]pyrimidine-7-carbaldehyde

Systemtic Name: 8-ethylsulfanyl-2-(4-methoxyphenyl)-4-oxidanylidene-3-(phenylmethyl)-[1]benzothiolo[2,3-d]pyrimidine-7-carbaldehyde Openeye Name: 3-benzyl-8-ethylsulfanyl-2-(4-methoxyphenyl)-4-oxo-benzothiopheno[2,3-d]pyrimidine-7-carbaldehyde CAS Name: 8-(ethylthio)-2-(4-methoxyphenyl)-4-oxo-3-(phenylmethyl)-[1]benzothiolo[2,3-d]pyrimidine-7-carboxaldehyde IUPAC Name: 3-benzyl-8-ethylsulfanyl-2-(4-methoxyphenyl)-4-oxo-[1]benzothiolo[2,3-d]pyrimidine-7-carbaldehyde Traditional Name: 3-benzyl-8-(ethylthio)-4-keto-2-(4-methoxyphenyl)benzothiopheno[2,3-d]pyrimidine-7-carbaldehyde Formula: C27H22N2O3S2 MolecularWeight: 486.60518

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC2=C1SC3=C2C(=O)N(C(=N3)C4=CC=C(C=C4)OC)CC5=CC=CC=C5)C=O

Isomeric SMILES

CCSC1=C(C=CC2=C1SC3=C2C(=O)N(C(=N3)C4=CC=C(C=C4)OC)CC5=CC=CC=C5)C=O

InChI

InChI=1S/C27H22N2O3S2/c1-3-33-23-19(16-30)11-14-21-22-26(34-24(21)23)28-25(18-9-12-20(32-2)13-10-18)29(27(22)31)15-17-7-5-4-6-8-17/h4-14,16H,3,15H2,1-2H3